Cas no 144980-35-8 (2H-1-Benzopyran-2-carboxamide,3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI))
![2H-1-Benzopyran-2-carboxamide,3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI) structure](https://ossimg.kuujia.com/scimg/145000/144980-35-8x500.png)
144980-35-8 structure
Product Name:2H-1-Benzopyran-2-carboxamide,3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI)
CAS No:144980-35-8
MF:C18H19NO2
MW:281.348964929581
CID:101968
Update Time:2024-01-24
2H-1-Benzopyran-2-carboxamide,3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2H-1-Benzopyran-2-carboxamide,3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI)
- (R,S)-3,4-DIHYDRO-N-(1-PHENYLETHYL)-2H-1-BENZOPYRAN-2-CARBOXAMIDE
- 2H-1-Benzopyran-2-carboxamide, 3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI)
-
- Inchi： 1S/C18H19NO2/c1-13(14-7-3-2-4-8-14)19-18(20)17-12-11-15-9-5-6-10-16(15)21-17/h2-10,13,17H,11-12H2,1H3,(H,19,20)/t13-,17-/m1/s1
- InChI Key： PXARIUVNMAABSE-CXAGYDPISA-N
- SMILES： [C@@H]1(C(N[C@@H](C2=CC=CC=C2)C)=O)OC2=CC=CC=C2CC1
Computed Properties
- Exact Mass: 281.142
- Monoisotopic Mass: 281.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 351
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
Experimental Properties
- Density: 1.146±0.06 g/cm3(Predicted)
- Boiling Point: 500.6±50.0 °C(Predicted)
- pka: 13.71±0.20(Predicted)
2H-1-Benzopyran-2-carboxamide,3,4-dihydro-N-(1-phenylethyl)-, [R-(R*,R*)]- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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